VsiteAtomMapping Class Reference

Description

Convenience typedef for linking virtual-site function type to interaction index.

The entries in this datastructure are valid if the particle participates in a virtual-site interaction and has a valid vsite function type other than VSITEN.

Public Member Functions
	VsiteAtomMapping (InteractionFunction functionType, int interactionIndex)
	Only construct with all information in place or nothing.
const InteractionFunction &	functionType () const
	Get the virtual-site function type.
const int &	interactionIndex () const
	Get the index of the virtual-site interaction in the interaction list.

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The documentation for this class was generated from the following file:

• src/gromacs/gmxpreprocess/vsite_parm.cpp